Аппроксимация производится при помощи полиномиальной функции методом LU-разложения. <...> Программное обеспечение может обрабатывать выходные файлы наиболее популярных программ для квантово-химических расчетов, среди которых Gaussian, Gamess, FireFly, Jaguar, MolPro, CFour, NWChem, ORCA, Priroda, PSI4, Q-Chem и VASP. <...> Ключевые слова: термодинамические функции, программное обеспечение, жесткий ротаторгармонический осциллятор, MS Excel, Open Office UDC: 544.31 STATTHERMO® – NEW SOFTWARE FOR CALCULATION OF THERMODYNAMIC FUNCTIONS A.M. Dunaev, L.S. Kudin Anatoliy M. Dunaev *, Lev S. Kudin Department of Physics, Ivanovo State University of Chemistry and Technology, Sheremetevskiy ave., 7, Ivanovo, 153000, Russia E-mail: amdunaev@ro.ru * 40 Изв. вузов. <...> Вып. 4 A new software StatThermo for calculation of thermodynamic functions using the molecular constants in Rigid Rotator – Harmonic Oscillator approximation has been developed. <...> The developed software can make the calculation for two reference temperatures (0 or 298.15 K) and different pressures. <...> The program can also approximate by the polynomial the thermodynamic functions defined by user. <...> A wide range of functional possibilities, flexible parameters of calculation, and feature of export results in the Visual Basic macro do the StatThermo powerful software for thermodynamic computations. <...> The software can treat the Gaussian, Gamess, FireFly, Jaguar, MolPro, CFour, NWChem, ORCA, Priroda, PSI4, Q-Chem, and VASP output files. <...> Unfortunately, existing databases [1-3] on thermodynamic properties of individual substances include restricted number of objects only and do not cover the requests of specialists. <...> Resulting thermodynamic functions of internal energy U(T), enthalpy increment H(T), free energy Ф(T), Helmholtz energy F(T), isobaric and isochoric specific heat capacity Cp(T) and Cv(T), and entropy S(T)) form the twodimensional array (temperature – function values). <...> The developed software produces calculation for two reference temperatures (0 or 298.15 K) and different pressures (101325 Pa by default). <...> As was recently shown [21] the electronic states are very important for evaluating of thermodynamic functions. <...> The possibility to take into account the low-lying electronic states is one <...>